Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11244832 | 0.80 | DRD1 (0.38) | CYP2D6CYP3A4MEN1KMT2AHTR2A | |
| SCHEMBL9009806 | 0.77 | HTR2A (0.40) | CYP2D6CYP3A4MEN1KMT2AHTR2A | |
| SCHEMBL4140643 | 0.76 | CYP2D6 (0.38) | CYP2D6CYP3A4MEN1KMT2AHTR2A | |
| SCHEMBL1383327 | 0.71 | CYP2D6 (0.35) | CYP2D6CYP3A4MEN1KMT2AHTR2A | |
| SCHEMBL10920895 | 0.71 | HTR2A (0.38) | CYP2D6CYP3A4HTR2ADRD1MAPK1 | |
| SCHEMBL873419 | 0.69 | CYP2D6 (0.41) | CYP2D6CYP3A4MEN1KMT2ADRD1 | |
| SCHEMBL6702423 | 0.65 | PNMT (0.42) | CYP2D6CYP3A4MEN1KMT2ADRD1 | |
| SCHEMBL359802 | 0.65 | MAPK1 (0.42) | CYP2D6CYP3A4MEN1KMT2ADRD1 | |
| SCHEMBL14395237 | 0.65 | CHRNB2 (0.44) | CYP2D6CYP3A4MEN1KMT2ADRD1 | |
| SCHEMBL359803 | 0.65 | CHRNB2 (0.44) | CYP2D6CYP3A4MEN1KMT2ADRD1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773580-B | Irregular ternary conjugated polymer photocatalytic material and preparation method and application thereof | 太原理工大学 | 2024-04-30 | — | — | CN | disclosed |